Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 123.81 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 133.72 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 101.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 135.13 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.27 | J mol-1 K-1 |
| Rotational | 122.85 | J mol-1 K-1 |
| Vibrational | 103.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 398.34 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1627.88 | kJ mol-1 |
Molecular Orbitals
- 1 -702.12 eV View
- 2 -702.12 eV View
- 3 -701.90 eV View
- 4 -700.92 eV View
- 5 -700.92 eV View
- 6 -540.43 eV View
- 7 -540.34 eV View
- 8 -302.02 eV View
- 9 -298.60 eV View
- 10 -296.03 eV View
- 11 -39.57 eV View
- 12 -37.55 eV View
- 13 -36.68 eV View
- 14 -36.59 eV View
- 15 -35.51 eV View
- 16 -28.76 eV View
- 17 -25.73 eV View
- 18 -20.41 eV View
- 19 -16.76 eV View
- 20 -14.43 eV View
- 21 -13.77 eV View
- 22 -13.77 eV View
- 23 -12.61 eV View
- 24 -11.33 eV View
- 25 -10.04 eV View
- 26 -9.75 eV View
- 27 -9.73 eV View
- 28 -8.88 eV View
- 29 -8.76 eV View
- 30 -8.65 eV View
- 31 -8.37 eV View
- 32 -8.24 eV View
- 33 -7.54 eV View
- 34 -7.54 eV View
- 35 -6.53 eV View
- 36 -6.17 eV View
- 37 -5.41 eV View
- 38 -1.01 eV View
- 39 -0.46 eV View
- 40 0.39 eV View
- 41 16.15 eV View
- 42 18.70 eV View
- 43 19.06 eV View
- 44 20.10 eV View
- 45 21.75 eV View
- 46 22.96 eV View
- 47 24.00 eV View
- 48 24.33 eV View
- 49 30.98 eV View
- 50 36.77 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | -1 | |
| Dipole | 0.00 | Debye |